葡萄糖氧化由蛋白溶性葡萄糖脱酶的机制:从分子动力学研究的见解
Swarnalatha Y Reddy1, Thomas C Bruice
1Department of Chemistry and Biochemistry, University of California, Santa Barbara, California 93106, USA.
Journal of the American Chemical Society
|February 26, 2004
概括
分子动力学模拟揭示了细菌溶性葡萄糖脱酶如何使用类 (PQQ) 来氧化葡萄糖. 关键的氨基酸和水分子在这种酶反应中促进质子和化物转移.
科学领域:
- 生物化学 生物化学
- 酶学 是一种酶学.
- 计算生物学 计算生物学
背景情况:
- 细菌可溶性葡萄糖脱酶是葡萄糖代谢中的关键酶.
- 罗基诺林 (PQQ) 是一种对酶活性至关重要的氧化还原辅助因子.
- 了解这种酶氧化葡萄糖的酶机制至关重要.
研究的目的:
- 为了阐明细菌溶性葡萄糖脱酶的催化机制.
- 为了研究罗基诺林 (PQQ) 在葡萄糖氧化的作用.
- 在反应过程中分析酶,PQQ和葡萄糖之间的相互作用.
主要方法:
- 在水溶液中生成3ns分子动力学 (MD) 模拟.
- 模拟了细菌可溶性葡萄糖脱酶酶,PQQ和葡萄糖复合体.
- 在PQQ减少过程中形成的分析中间体.
主要成果:
- 确定了His144和葡萄糖之间的关键结相互作用.
- 观察到从葡萄糖和化物转移到PQQ的协同质子抽取.
- 详细说明了PQQ的重新排列到其基形式 (PQQH2),辅助由His144和Arg228.8.
结论:
- 该研究提供了葡萄糖氧化机制的详细原子视图.
- 特定的氨基酸残留物 (His144,Asp163,Arg228,Asn229) 在催化中起着至关重要的作用.
- 在反应过程中,水分子参与稳定中间体.
相关概念视频
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Overview
Cells make energy by breaking down macromolecules. Cellular respiration is the biochemical process that converts "food energy" (from the chemical bonds of macromolecules) into chemical energy in the form of adenosine triphosphate (ATP). The first step of this tightly regulated and intricate process is glycolysis. The word glycolysis originates from the Latin glyco (sugar) and lysis (breakdown). Glycolysis serves two main intracellular functions: generating ATP and generating...
Cells make energy by breaking down macromolecules. Cellular respiration is the biochemical process that converts "food energy" (from the chemical bonds of macromolecules) into chemical energy in the form of adenosine triphosphate (ATP). The first step of this tightly regulated and intricate process is glycolysis. The word glycolysis originates from the Latin glyco (sugar) and lysis (breakdown). Glycolysis serves two main intracellular functions: generating ATP and generating...
Energy-releasing Steps of Glycolysis
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The first energy-releasing step—the 6th step of glycolysis —consists of two...
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Sugar (a simple carbohydrate) metabolism (chemical reactions) is a classic example of the many cellular processes that use and produce energy. Living things consume sugar as a major energy source because sugar molecules have considerable energy stored within their bonds. Consumed carbohydrates have their origins in photosynthesizing organisms like plants. During photosynthesis, plants use the energy of sunlight to convert carbon dioxide gas into sugar molecules, like glucose. Because this...
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Glycolysis: Pay-off Phase
So far, glycolysis has cost the cell two ATP molecules and produced two small, three-carbon sugar molecules. These molecules will proceed through the second half of the pathway, and sufficient energy will be extracted to pay back the two ATP molecules used as an initial investment and produce a profit for the cell of two additional ATP molecules and two even higher-energy NADH molecules.
Step 1 - 5: Glycolysis Preparatory Phase
The first phase of glycolysis has 5 steps where the glucose is...
Step 1 - 5: Glycolysis Preparatory Phase
The first phase of glycolysis has 5 steps where the glucose is...
Sugars as Energy Storage Molecules
Sugar (a simple carbohydrate) metabolism (chemical reactions) is a classic example of the many cellular processes that use and produce energy. Living things consume sugar as a major energy source because sugar molecules have considerable energy stored within their bonds. Consumed carbohydrates have their origins in photosynthesizing organisms like plants. During photosynthesis, plants use the energy of sunlight to convert carbon dioxide gas into sugar molecules, like glucose. Because this...


